4-amino-N-[(Z)-butan-2-ylideneamino]benzamide

C11H15N3O — CID 5399430

IUPAC4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
SMILESCC/C(C)=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H15N3O/c1-3-8(2)13-14-11(15)9-4-6-10(12)7-5-9/h4-7H,3,12H2,1-2H3,(H,14,15)/b13-8-
InChIKeyXTCQSSCDWJIHFW-JYRVWZFOSA-N
MW205.26 g/mol
LogP1.78
Rot. Bonds3

About 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide

4-amino-N-[(Z)-butan-2-ylideneamino]benzamide (PubChem CID 5399430) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
PubChem CID5399430
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name4-amino-N-[(Z)-butan-2-ylideneamino]benzamide
SMILESCC/C(C)=N\NC(=O)c1ccc(N)cc1
InChIInChI=1S/C11H15N3O/c1-3-8(2)13-14-11(15)9-4-6-10(12)7-5-9/h4-7H,3,12H2,1-2H3,(H,14,15)/b13-8-
InChIKeyXTCQSSCDWJIHFW-JYRVWZFOSA-N
XLogP1.78
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 9070750
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
N-[(E)-butan-2-ylideneamino]-4-(propanoylamino)benzamide
CID 40539272
4-amino-N-[(E)-3,3-dimethylbutan-2-ylideneamino]benzamide
CID 6920720
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
N-[(Z)-1-(1-adamantyl)propan-2-ylideneamino]-4-aminobenzamide
CID 9071087
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127
4-amino-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6392052
4-amino-N-[(Z)-1-thiophen-2-ylpropylideneamino]benzamide
CID 9070522
N-[(Z)-butan-2-ylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465901
4-fluoro-N-[(Z)-pentan-2-ylideneamino]benzamide
CID 6026016

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide (CID 5399430) is 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide is CC/C(C)=N\NC(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide?
The InChIKey is XTCQSSCDWJIHFW-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-8(2)13-14-11(15)9-4-6-10(12)7-5-9/h4-7H,3,12H2,1-2H3,(H,14,15)/b13-8-.
What are the key properties of 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide?
4-amino-N-[(Z)-butan-2-ylideneamino]benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-butan-2-ylideneamino]benzamide is sourced from PubChem (CID 5399430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).